Fast Intercalation of Lithium in Semi‐Metallic γ‐GeSe Nanosheet: A New Group‐IV Monochalcogenide for Lithium‐Ion Battery Application

Abstract

A recently newly synthesized monochalcogenide, γ-GeSe, is demonstrated for 2 potential application of Li exfoliation and lithium-ion battery with the Li species showing a small diffusion barrier of 0.21 eV and the voltage ranging from 0.071-0.015 V. The theoretical storage capacity of γ-GeSe is over 530.36 mAh g -1 . Such results suggest the γ-GeSe nanosheet can be a promising anode material for lithiumion battery.

Abnormal behavior of preferred formation of the cationic vacancies from the interior in a γ-GeSe monolayer with the stereo-chemical antibonding lone-pair state

“…10 Unlike theoretical predictions, the deposited γ-GeSe shows an A–B′ stacked non-centrosymmetric atomic structure. 11 This new structure has aroused great interest with respect to the strain-tunable electronic structure and spontaneous polarization, 12,13 van der Waals heterostructures, 14 and fast Li-ion intercalation properties 15 through first-principles calculations.…”

The electronic and optical properties of silicon doped on arsenic and antimony nanotubes: a first-principles study

“…Various lateral and vertical magnetic heterojunctions can be obtained via self-intercalation of Cr atoms in 2D Cr x Te y , 45 and their electronic band structures are obtained mainly by splitting of the 3d orbitals of Cr atom due to van der Waals forces, which is different from that of p orbitals owing to interatomic interaction. Semi-metallic γ-GeSe with absorbed Li 46 causes negligible changes in the p-orbitals of Ge and Se except for the upward shift of the Fermi level to the conduction band and semi-metallic γ-GeSe under strain, 47 which results from competing bands at the band edges. Our research shows that the silicon-doped arsenic and antimony nanotubes bandgaps become narrower because of the content of s and p orbitals and the hybridization between them.…”

2D Layered Materials for Fast‐Charging Lithium‐Ion Battery Anodes

“…Nonmetallic element B 0.03 [79] 0.47 [80] 1860 [79] P 0.08 [44] 0.7 [43] 2596 [43] Bi 0.15 [81] 0.2 [81] 2276 [81] Binary compounds III-V BN 2 0.05 [45] 0.61 [45] 2071 [45] BP (boron phosphide) 0.36 [82] 0.19 [82] 1283 [82] III-VI B 2 S 0.45 [83] N/A 1498 [83] IV-V SiP 3 0.11 [84] 0.36 [84] 2659 [84] IV-VI SiS 0.16 [85] 0.2 [85] 446 [85] GeSe 0.21 [86] 0.07 [86] 530 [86] Transition metal compound TMDs VS 2 0.22 [87] 0.93 [87] 466 [87] MoS 2 0.17 [88] 0.30-0.76 [88] 1172 [88] MXene Ti 3 C 2 0.07 [89] 0.62 [89] 448 [89] TiC 2 0.11 [90] 0.96 [90] 622 [90] (XRD) results showed that the diffraction peak located at 2θ = 26° is dramatically decreased, which is caused by the destruction of the stacking layer (Figure 4f). Son et al further confirmed that the fast charging performance of the battery can be significantly improved with the use of expanded graphite.…”